2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol

C13H22N2O — CID 107192051

IUPAC2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCCn1cc(CC(O)C2CCCC2C)cn1
InChIInChI=1S/C13H22N2O/c1-3-15-9-11(8-14-15)7-13(16)12-6-4-5-10(12)2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyLCQLSDUKLJSRJO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol

2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol (PubChem CID 107192051) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
PubChem CID107192051
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCCn1cc(CC(O)C2CCCC2C)cn1
InChIInChI=1S/C13H22N2O/c1-3-15-9-11(8-14-15)7-13(16)12-6-4-5-10(12)2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyLCQLSDUKLJSRJO-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopropyl)ethanol
CID 65420821
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780530
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091
[1-cyclobutyl-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103170429
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342
(1-ethylpyrazol-4-yl)-(2-methylcyclopropyl)methanol
CID 65420163
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928
1-(3-ethylimidazol-4-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 66134538
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol (CID 107192051) is 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol is CCn1cc(CC(O)C2CCCC2C)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol?
The InChIKey is LCQLSDUKLJSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15-9-11(8-14-15)7-13(16)12-6-4-5-10(12)2/h8-10,12-13,16H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol?
2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(2-methylcyclopentyl)ethanol is sourced from PubChem (CID 107192051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).